2-(1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)ethanol

C16H15NOS2 — CID 79205491

IUPAC2-(1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)ethanol
SMILESCSc1ccccc1C(O)Cc1nc2ccccc2s1
InChIInChI=1S/C16H15NOS2/c1-19-14-8-4-2-6-11(14)13(18)10-16-17-12-7-3-5-9-15(12)20-16/h2-9,13,18H,10H2,1H3
InChIKeyLPZVHSDDFOGVPS-UHFFFAOYSA-N
MW301.44 g/mol
LogP4.29
Rot. Bonds4

About 2-(1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)ethanol

2-(1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)ethanol (PubChem CID 79205491) has the molecular formula C16H15NOS2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)ethanol
PubChem CID79205491
Molecular FormulaC16H15NOS2
Molecular Weight301.44 g/mol
Exact Mass301.06
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)ethanol
SMILESCSc1ccccc1C(O)Cc1nc2ccccc2s1
InChIInChI=1S/C16H15NOS2/c1-19-14-8-4-2-6-11(14)13(18)10-16-17-12-7-3-5-9-15(12)20-16/h2-9,13,18H,10H2,1H3
InChIKeyLPZVHSDDFOGVPS-UHFFFAOYSA-N
XLogP4.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-yl)-1-phenylethanol
CID 15556945
2-(1,3-benzothiazol-2-yl)-1-(4-methylthiophen-3-yl)ethanol
CID 79818416
2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanol
CID 66459666
1-(2-amino-5-fluorophenyl)-2-(1,3-benzothiazol-2-yl)ethanol
CID 82685328
1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol
CID 11806254
2-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)ethanol
CID 66461067
2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol
CID 66461877
(2R,3S)-3-[(2R)-1-(1,3-benzothiazol-2-yl)propan-2-yl]sulfanylbutan-2-ol
CID 96958224
2-(1,3-benzothiazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol
CID 79819245
2-(1,3-benzothiazol-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79819016
3-(1,3-benzothiazol-2-yl)-1-phenylpropane-1,2-diol
CID 103459476
2-(2-chlorobutyl)-1,3-benzothiazole
CID 63202547

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)ethanol?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)ethanol (CID 79205491) is 2-(1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)ethanol?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)ethanol is CSc1ccccc1C(O)Cc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)ethanol?
The InChIKey is LPZVHSDDFOGVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS2/c1-19-14-8-4-2-6-11(14)13(18)10-16-17-12-7-3-5-9-15(12)20-16/h2-9,13,18H,10H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)ethanol?
2-(1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)ethanol has a molecular weight of 301.44 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 79205491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).